USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 454 THR OG1 : rot -56:sc= 0.297 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.281 USER MOD Set 2.1: A 450 THR OG1 : rot 139:sc= 0.934 USER MOD Set 2.2: A 455 TYR OH : rot 70:sc= 1.81 USER MOD Set 3.1: A 416 THR OG1 : rot 141:sc= 3.41 USER MOD Set 3.2: A 419 TYR OH : rot 180:sc= 0.444 USER MOD Set 3.3: A 463 LYS NZ :NH3+ -140:sc= -5.27! (180deg=-11.8!) USER MOD Set 4.1: A 407 THR OG1 : rot 180:sc= 1.15 USER MOD Set 4.2: A 445 THR OG1 : rot -69:sc= 1.18 USER MOD Single : A 404 SER OG : rot 160:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0.112 K(o=0.11,f=-3.1!) USER MOD Single : A 406 THR OG1 : rot -150:sc= -1.95! USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN :FLIP amide:sc= -0.113 F(o=-1.4!,f=-0.11) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot -97:sc= -8.95! USER MOD Single : A 424 HIS :FLIP no HD1:sc= -0.0765 F(o=-0.65,f=-0.077) USER MOD Single : A 428 THR OG1 : rot 173:sc= 0.352 USER MOD Single : A 434 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 441 SER OG : rot -170:sc= -0.125 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= -0.257 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.074 USER MOD Single : A 456 ASN : amide:sc= -1.19! C(o=-1.2!,f=-4.3!) USER MOD Single : A 465 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.94) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 169:sc= -0.0113 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.741 4.487 -0.980 1.00 0.30 N ATOM 121 CA SER A 404 14.251 4.238 -2.319 1.00 0.27 C ATOM 122 C SER A 404 12.759 4.516 -2.373 1.00 0.28 C ATOM 123 O SER A 404 12.060 4.379 -1.364 1.00 0.43 O ATOM 124 CB SER A 404 14.556 2.796 -2.724 1.00 0.28 C ATOM 125 OG SER A 404 14.113 2.518 -4.042 1.00 1.04 O ATOM 0 HA SER A 404 14.752 4.902 -3.024 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.629 2.618 -2.655 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.074 2.112 -2.026 1.00 0.28 H new ATOM 0 HG SER A 404 14.586 1.733 -4.387 1.00 1.04 H new ATOM 131 N GLN A 405 12.277 4.929 -3.531 1.00 0.26 N ATOM 132 CA GLN A 405 10.874 5.279 -3.674 1.00 0.26 C ATOM 133 C GLN A 405 10.175 4.329 -4.634 1.00 0.27 C ATOM 134 O GLN A 405 10.497 4.280 -5.819 1.00 0.43 O ATOM 135 CB GLN A 405 10.678 6.720 -4.165 1.00 0.30 C ATOM 136 CG GLN A 405 11.864 7.661 -3.956 1.00 0.33 C ATOM 137 CD GLN A 405 12.913 7.573 -5.061 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.859 6.789 -4.970 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.755 8.368 -6.115 1.00 0.91 N ATOM 0 H GLN A 405 12.831 5.030 -4.381 1.00 0.26 H new ATOM 0 HA GLN A 405 10.433 5.194 -2.681 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.443 6.692 -5.229 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.810 7.142 -3.658 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.498 8.686 -3.894 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.335 7.432 -3.000 1.00 0.33 H new ATOM 0 HE21 GLN A 405 11.960 9.006 -6.158 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.429 8.340 -6.880 1.00 0.91 H new ATOM 148 N THR A 406 9.231 3.569 -4.112 1.00 0.18 N ATOM 149 CA THR A 406 8.403 2.711 -4.928 1.00 0.19 C ATOM 150 C THR A 406 7.049 3.341 -5.142 1.00 0.17 C ATOM 151 O THR A 406 6.183 3.315 -4.271 1.00 0.16 O ATOM 152 CB THR A 406 8.221 1.334 -4.275 1.00 0.21 C ATOM 153 OG1 THR A 406 9.500 0.752 -4.000 1.00 0.27 O ATOM 154 CG2 THR A 406 7.420 0.413 -5.166 1.00 0.29 C ATOM 0 H THR A 406 9.020 3.531 -3.115 1.00 0.18 H new ATOM 0 HA THR A 406 8.904 2.582 -5.887 1.00 0.19 H new ATOM 0 HB THR A 406 7.675 1.469 -3.342 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.432 -0.225 -4.046 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.306 -0.556 -4.679 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.436 0.846 -5.347 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.939 0.283 -6.116 1.00 0.29 H new ATOM 162 N THR A 407 6.894 3.939 -6.289 1.00 0.19 N ATOM 163 CA THR A 407 5.616 4.431 -6.709 1.00 0.19 C ATOM 164 C THR A 407 4.757 3.261 -7.165 1.00 0.19 C ATOM 165 O THR A 407 5.075 2.574 -8.135 1.00 0.26 O ATOM 166 CB THR A 407 5.804 5.455 -7.825 1.00 0.24 C ATOM 167 OG1 THR A 407 6.369 6.657 -7.285 1.00 0.26 O ATOM 168 CG2 THR A 407 4.493 5.765 -8.544 1.00 0.24 C ATOM 0 H THR A 407 7.649 4.098 -6.957 1.00 0.19 H new ATOM 0 HA THR A 407 5.110 4.927 -5.881 1.00 0.19 H new ATOM 0 HB THR A 407 6.484 5.027 -8.562 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.490 7.313 -8.003 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.674 6.498 -9.330 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.095 4.851 -8.985 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.773 6.167 -7.831 1.00 0.24 H new ATOM 176 N ILE A 408 3.678 3.039 -6.443 1.00 0.21 N ATOM 177 CA ILE A 408 2.828 1.881 -6.668 1.00 0.21 C ATOM 178 C ILE A 408 1.392 2.319 -6.811 1.00 0.18 C ATOM 179 O ILE A 408 0.912 3.186 -6.077 1.00 0.16 O ATOM 180 CB ILE A 408 2.966 0.784 -5.552 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.677 -0.032 -5.376 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.340 1.382 -4.212 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.913 -1.467 -4.968 1.00 0.27 C ATOM 0 H ILE A 408 3.364 3.649 -5.688 1.00 0.21 H new ATOM 0 HA ILE A 408 3.164 1.414 -7.594 1.00 0.21 H new ATOM 0 HB ILE A 408 3.765 0.124 -5.891 1.00 0.23 H new ATOM 0 HG12 ILE A 408 1.052 0.451 -4.625 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.119 -0.018 -6.312 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.425 0.588 -3.470 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.295 1.901 -4.299 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.570 2.088 -3.901 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.956 -1.978 -4.864 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.511 -1.968 -5.729 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.443 -1.492 -4.016 1.00 0.27 H new ATOM 195 N SER A 409 0.731 1.748 -7.790 1.00 0.18 N ATOM 196 CA SER A 409 -0.645 2.069 -8.051 1.00 0.16 C ATOM 197 C SER A 409 -1.536 0.877 -7.768 1.00 0.13 C ATOM 198 O SER A 409 -1.114 -0.275 -7.846 1.00 0.15 O ATOM 199 CB SER A 409 -0.826 2.536 -9.493 1.00 0.21 C ATOM 200 OG SER A 409 -0.280 1.606 -10.415 1.00 0.71 O ATOM 0 H SER A 409 1.131 1.054 -8.421 1.00 0.18 H new ATOM 0 HA SER A 409 -0.935 2.882 -7.386 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.887 2.675 -9.701 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.346 3.505 -9.625 1.00 0.21 H new ATOM 0 HG SER A 409 -0.414 1.934 -11.329 1.00 0.71 H new ATOM 206 N TRP A 410 -2.760 1.175 -7.423 1.00 0.16 N ATOM 207 CA TRP A 410 -3.770 0.164 -7.193 1.00 0.17 C ATOM 208 C TRP A 410 -5.038 0.603 -7.839 1.00 0.18 C ATOM 209 O TRP A 410 -5.212 1.776 -8.179 1.00 0.19 O ATOM 210 CB TRP A 410 -3.995 -0.073 -5.698 1.00 0.16 C ATOM 211 CG TRP A 410 -4.284 1.188 -4.935 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.505 1.748 -4.638 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.302 2.062 -4.385 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.320 2.909 -3.925 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.978 3.123 -3.761 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.906 2.043 -4.363 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.305 4.157 -3.121 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.238 3.064 -3.731 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.939 4.113 -3.116 1.00 0.14 C ATOM 0 H TRP A 410 -3.092 2.131 -7.291 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.432 -0.778 -7.625 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.825 -0.767 -5.568 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.111 -0.551 -5.276 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.463 1.338 -4.922 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.063 3.513 -3.575 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.360 1.239 -4.835 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.841 4.965 -2.646 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.158 3.059 -3.707 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.387 4.903 -2.628 1.00 0.14 H new ATOM 230 N ALA A 411 -5.914 -0.333 -8.028 1.00 0.19 N ATOM 231 CA ALA A 411 -7.121 -0.055 -8.698 1.00 0.22 C ATOM 232 C ALA A 411 -8.139 0.509 -7.744 1.00 0.19 C ATOM 233 O ALA A 411 -8.305 0.021 -6.624 1.00 0.19 O ATOM 234 CB ALA A 411 -7.624 -1.289 -9.380 1.00 0.26 C ATOM 0 H ALA A 411 -5.804 -1.299 -7.721 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.939 0.701 -9.462 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.558 -1.065 -9.896 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.884 -1.633 -10.103 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.797 -2.069 -8.639 1.00 0.26 H new ATOM 240 N PRO A 412 -8.812 1.554 -8.201 1.00 0.20 N ATOM 241 CA PRO A 412 -9.769 2.306 -7.420 1.00 0.19 C ATOM 242 C PRO A 412 -10.741 1.406 -6.696 1.00 0.20 C ATOM 243 O PRO A 412 -11.455 0.611 -7.311 1.00 0.23 O ATOM 244 CB PRO A 412 -10.527 3.134 -8.437 1.00 0.24 C ATOM 245 CG PRO A 412 -9.729 3.111 -9.702 1.00 0.26 C ATOM 246 CD PRO A 412 -8.666 2.062 -9.559 1.00 0.23 C ATOM 0 HA PRO A 412 -9.266 2.900 -6.657 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.523 2.724 -8.602 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.657 4.156 -8.082 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.371 2.889 -10.554 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.280 4.087 -9.887 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.796 1.267 -10.293 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.673 2.483 -9.717 1.00 0.23 H new ATOM 254 N PHE A 413 -10.750 1.532 -5.396 1.00 0.21 N ATOM 255 CA PHE A 413 -11.565 0.689 -4.564 1.00 0.30 C ATOM 256 C PHE A 413 -12.894 1.370 -4.220 1.00 0.51 C ATOM 257 O PHE A 413 -13.800 0.742 -3.664 1.00 1.35 O ATOM 258 CB PHE A 413 -10.769 0.317 -3.309 1.00 0.30 C ATOM 259 CG PHE A 413 -11.455 -0.645 -2.390 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.085 -0.184 -1.253 1.00 0.36 C ATOM 261 CD2 PHE A 413 -11.467 -2.000 -2.660 1.00 0.51 C ATOM 262 CE1 PHE A 413 -12.725 -1.056 -0.396 1.00 0.45 C ATOM 263 CE2 PHE A 413 -12.101 -2.884 -1.809 1.00 0.61 C ATOM 264 CZ PHE A 413 -12.734 -2.413 -0.674 1.00 0.57 C ATOM 0 H PHE A 413 -10.195 2.219 -4.886 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.819 -0.224 -5.103 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -9.815 -0.113 -3.615 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.544 1.229 -2.755 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.077 0.873 -1.031 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -10.975 -2.372 -3.547 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.218 -0.681 0.489 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -12.102 -3.941 -2.030 1.00 0.61 H new ATOM 0 HZ PHE A 413 -13.233 -3.100 -0.007 1.00 0.57 H new ATOM 274 N GLN A 414 -12.981 2.669 -4.537 1.00 0.54 N ATOM 275 CA GLN A 414 -14.253 3.428 -4.463 1.00 0.53 C ATOM 276 C GLN A 414 -14.542 3.939 -3.082 1.00 0.44 C ATOM 277 O GLN A 414 -14.754 3.194 -2.133 1.00 0.48 O ATOM 278 CB GLN A 414 -15.459 2.629 -4.990 1.00 0.71 C ATOM 279 CG GLN A 414 -16.785 3.358 -4.851 1.00 1.28 C ATOM 280 CD GLN A 414 -17.998 2.423 -4.886 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.858 1.163 -4.440 1.00 2.11 O flip ATOM 282 NE2 GLN A 414 -19.076 2.833 -5.316 1.00 1.89 N flip ATOM 0 H GLN A 414 -12.185 3.225 -4.850 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.106 4.286 -5.119 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.294 2.391 -6.041 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.518 1.682 -4.454 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.790 3.913 -3.913 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -16.875 4.089 -5.654 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -19.160 3.793 -5.650 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.885 2.213 -5.339 1.00 1.89 H new ATOM 291 N ASP A 415 -14.554 5.248 -3.045 1.00 0.39 N ATOM 292 CA ASP A 415 -14.879 6.056 -1.890 1.00 0.34 C ATOM 293 C ASP A 415 -14.237 5.582 -0.605 1.00 0.31 C ATOM 294 O ASP A 415 -14.893 5.488 0.434 1.00 0.35 O ATOM 295 CB ASP A 415 -16.387 6.174 -1.670 1.00 0.40 C ATOM 296 CG ASP A 415 -17.104 6.922 -2.776 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.336 6.338 -3.853 1.00 0.58 O ATOM 298 OD2 ASP A 415 -17.446 8.110 -2.573 1.00 0.59 O ATOM 0 H ASP A 415 -14.325 5.812 -3.864 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.463 7.035 -2.130 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.813 5.174 -1.584 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.569 6.681 -0.722 1.00 0.40 H new ATOM 303 N THR A 416 -12.968 5.298 -0.666 1.00 0.27 N ATOM 304 CA THR A 416 -12.215 4.958 0.507 1.00 0.23 C ATOM 305 C THR A 416 -11.998 6.204 1.363 1.00 0.24 C ATOM 306 O THR A 416 -11.835 7.296 0.833 1.00 0.25 O ATOM 307 CB THR A 416 -10.873 4.363 0.078 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.110 3.227 -0.766 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.049 3.945 1.277 1.00 0.22 C ATOM 0 H THR A 416 -12.426 5.296 -1.530 1.00 0.27 H new ATOM 0 HA THR A 416 -12.761 4.225 1.101 1.00 0.23 H new ATOM 0 HB THR A 416 -10.314 5.125 -0.466 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.449 3.213 -1.489 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.101 3.526 0.939 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.858 4.813 1.908 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.594 3.194 1.849 1.00 0.22 H new ATOM 317 N SER A 417 -12.078 6.059 2.676 1.00 0.25 N ATOM 318 CA SER A 417 -11.771 7.165 3.565 1.00 0.28 C ATOM 319 C SER A 417 -10.261 7.366 3.620 1.00 0.27 C ATOM 320 O SER A 417 -9.770 8.495 3.624 1.00 0.33 O ATOM 321 CB SER A 417 -12.335 6.911 4.968 1.00 0.32 C ATOM 322 OG SER A 417 -12.184 8.048 5.801 1.00 1.14 O ATOM 0 H SER A 417 -12.350 5.195 3.145 1.00 0.25 H new ATOM 0 HA SER A 417 -12.239 8.071 3.179 1.00 0.28 H new ATOM 0 HB2 SER A 417 -13.391 6.649 4.895 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.825 6.059 5.418 1.00 0.32 H new ATOM 0 HG SER A 417 -12.554 7.855 6.688 1.00 1.14 H new ATOM 328 N GLU A 418 -9.534 6.253 3.632 1.00 0.23 N ATOM 329 CA GLU A 418 -8.079 6.268 3.737 1.00 0.25 C ATOM 330 C GLU A 418 -7.460 5.019 3.129 1.00 0.19 C ATOM 331 O GLU A 418 -7.935 3.919 3.362 1.00 0.28 O ATOM 332 CB GLU A 418 -7.692 6.348 5.208 1.00 0.36 C ATOM 333 CG GLU A 418 -7.655 7.750 5.731 1.00 0.84 C ATOM 334 CD GLU A 418 -7.628 7.837 7.246 1.00 0.86 C ATOM 335 OE1 GLU A 418 -8.528 7.268 7.896 1.00 1.31 O ATOM 336 OE2 GLU A 418 -6.701 8.458 7.800 1.00 1.37 O ATOM 0 H GLU A 418 -9.936 5.318 3.569 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.706 7.133 3.189 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -8.402 5.766 5.796 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -6.713 5.890 5.345 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -6.775 8.254 5.332 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -8.527 8.289 5.361 1.00 0.84 H new ATOM 343 N TYR A 419 -6.401 5.172 2.356 1.00 0.17 N ATOM 344 CA TYR A 419 -5.652 4.005 1.894 1.00 0.16 C ATOM 345 C TYR A 419 -4.361 3.918 2.669 1.00 0.19 C ATOM 346 O TYR A 419 -3.555 4.850 2.652 1.00 0.29 O ATOM 347 CB TYR A 419 -5.319 4.033 0.393 1.00 0.16 C ATOM 348 CG TYR A 419 -6.527 3.992 -0.551 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.223 2.805 -0.776 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.991 5.144 -1.212 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.312 2.765 -1.614 1.00 0.12 C ATOM 352 CE2 TYR A 419 -8.091 5.091 -2.056 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.709 3.941 -2.288 1.00 0.14 C ATOM 354 OH TYR A 419 -9.823 3.828 -3.091 1.00 0.19 O ATOM 0 H TYR A 419 -6.041 6.071 2.037 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.292 3.138 2.061 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.746 4.936 0.182 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.673 3.185 0.166 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.901 1.900 -0.283 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.483 6.085 -1.060 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.858 1.844 -1.755 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.447 5.995 -2.528 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.014 4.693 -3.509 1.00 0.19 H new ATOM 364 N ILE A 420 -4.174 2.820 3.362 1.00 0.18 N ATOM 365 CA ILE A 420 -2.964 2.624 4.121 1.00 0.18 C ATOM 366 C ILE A 420 -2.182 1.463 3.560 1.00 0.17 C ATOM 367 O ILE A 420 -2.668 0.339 3.481 1.00 0.21 O ATOM 368 CB ILE A 420 -3.253 2.410 5.615 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.912 3.670 6.178 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.966 2.093 6.382 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.717 3.435 7.428 1.00 0.32 C ATOM 0 H ILE A 420 -4.842 2.051 3.416 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.367 3.532 4.034 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.925 1.560 5.731 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.138 4.408 6.390 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.562 4.099 5.415 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.198 1.946 7.437 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.517 1.185 5.979 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.266 2.922 6.277 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.151 4.377 7.764 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.514 2.722 7.219 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.069 3.036 8.208 1.00 0.32 H new ATOM 383 N ILE A 421 -0.979 1.765 3.151 1.00 0.15 N ATOM 384 CA ILE A 421 -0.114 0.791 2.550 1.00 0.18 C ATOM 385 C ILE A 421 0.834 0.256 3.597 1.00 0.19 C ATOM 386 O ILE A 421 1.420 1.018 4.363 1.00 0.30 O ATOM 387 CB ILE A 421 0.678 1.415 1.397 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.303 1.909 0.324 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.648 0.383 0.838 1.00 0.24 C ATOM 390 CD1 ILE A 421 -0.032 3.299 -0.199 1.00 0.32 C ATOM 0 H ILE A 421 -0.572 2.697 3.226 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.717 -0.024 2.150 1.00 0.18 H new ATOM 0 HB ILE A 421 1.258 2.269 1.747 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.283 1.212 -0.514 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.312 1.883 0.736 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.214 0.823 0.017 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.335 0.066 1.623 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.091 -0.480 0.473 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.778 3.556 -0.951 1.00 0.32 H new ATOM 0 HD12 ILE A 421 -0.084 4.013 0.623 1.00 0.32 H new ATOM 0 HD13 ILE A 421 0.961 3.332 -0.647 1.00 0.32 H new ATOM 402 N SER A 422 0.973 -1.045 3.629 1.00 0.14 N ATOM 403 CA SER A 422 1.763 -1.694 4.640 1.00 0.14 C ATOM 404 C SER A 422 2.883 -2.495 4.000 1.00 0.16 C ATOM 405 O SER A 422 2.668 -3.591 3.485 1.00 0.36 O ATOM 406 CB SER A 422 0.884 -2.608 5.480 1.00 0.18 C ATOM 407 OG SER A 422 -0.080 -1.878 6.232 1.00 0.88 O ATOM 0 H SER A 422 0.543 -1.681 2.957 1.00 0.14 H new ATOM 0 HA SER A 422 2.202 -0.932 5.284 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.374 -3.319 4.830 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.509 -3.189 6.158 1.00 0.18 H new ATOM 0 HG SER A 422 -0.626 -2.501 6.756 1.00 0.88 H new ATOM 413 N CYS A 423 4.069 -1.934 4.028 1.00 0.14 N ATOM 414 CA CYS A 423 5.229 -2.577 3.436 1.00 0.12 C ATOM 415 C CYS A 423 5.954 -3.434 4.465 1.00 0.12 C ATOM 416 O CYS A 423 6.718 -2.922 5.280 1.00 0.13 O ATOM 417 CB CYS A 423 6.179 -1.538 2.859 1.00 0.14 C ATOM 418 SG CYS A 423 7.134 -2.138 1.461 1.00 0.95 S ATOM 0 H CYS A 423 4.261 -1.028 4.456 1.00 0.14 H new ATOM 0 HA CYS A 423 4.883 -3.222 2.629 1.00 0.12 H new ATOM 0 HB2 CYS A 423 5.605 -0.665 2.549 1.00 0.14 H new ATOM 0 HB3 CYS A 423 6.863 -1.208 3.641 1.00 0.14 H new ATOM 0 HG CYS A 423 8.306 -2.524 1.870 1.00 0.95 H new ATOM 424 N HIS A 424 5.709 -4.737 4.423 1.00 0.13 N ATOM 425 CA HIS A 424 6.329 -5.663 5.370 1.00 0.15 C ATOM 426 C HIS A 424 7.663 -6.164 4.839 1.00 0.15 C ATOM 427 O HIS A 424 7.720 -6.884 3.849 1.00 0.16 O ATOM 428 CB HIS A 424 5.424 -6.857 5.659 1.00 0.18 C ATOM 429 CG HIS A 424 4.275 -6.556 6.567 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.107 -5.914 6.331 1.00 0.24 N flip ATOM 431 CD2 HIS A 424 4.239 -6.933 7.891 1.00 0.24 C flip ATOM 432 CE1 HIS A 424 2.399 -5.918 7.504 1.00 0.25 C flip ATOM 433 NE2 HIS A 424 3.102 -6.538 8.429 1.00 0.25 N flip ATOM 0 H HIS A 424 5.087 -5.179 3.746 1.00 0.13 H new ATOM 0 HA HIS A 424 6.490 -5.113 6.297 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.035 -7.239 4.715 1.00 0.18 H new ATOM 0 HB3 HIS A 424 6.023 -7.652 6.102 1.00 0.18 H new ATOM 0 HD2 HIS A 424 5.021 -7.469 8.408 1.00 0.24 H new ATOM 0 HE1 HIS A 424 1.421 -5.482 7.647 1.00 0.25 H new ATOM 0 HE2 HIS A 424 2.816 -6.687 9.397 1.00 0.25 H new ATOM 442 N PRO A 425 8.747 -5.790 5.508 1.00 0.17 N ATOM 443 CA PRO A 425 10.092 -6.180 5.114 1.00 0.17 C ATOM 444 C PRO A 425 10.402 -7.619 5.438 1.00 0.18 C ATOM 445 O PRO A 425 10.120 -8.118 6.526 1.00 0.24 O ATOM 446 CB PRO A 425 11.013 -5.256 5.908 1.00 0.21 C ATOM 447 CG PRO A 425 10.160 -4.561 6.923 1.00 0.32 C ATOM 448 CD PRO A 425 8.730 -4.968 6.713 1.00 0.22 C ATOM 0 HA PRO A 425 10.216 -6.092 4.035 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.806 -5.825 6.394 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.496 -4.534 5.250 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.483 -4.823 7.931 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.263 -3.480 6.826 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.349 -5.527 7.567 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.086 -4.098 6.589 1.00 0.22 H new ATOM 456 N VAL A 426 10.978 -8.265 4.458 1.00 0.15 N ATOM 457 CA VAL A 426 11.410 -9.636 4.566 1.00 0.19 C ATOM 458 C VAL A 426 12.937 -9.672 4.602 1.00 0.20 C ATOM 459 O VAL A 426 13.592 -8.971 3.829 1.00 0.20 O ATOM 460 CB VAL A 426 10.944 -10.442 3.353 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.162 -11.933 3.541 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.506 -10.133 2.987 1.00 0.21 C ATOM 0 H VAL A 426 11.164 -7.847 3.546 1.00 0.15 H new ATOM 0 HA VAL A 426 10.986 -10.066 5.473 1.00 0.19 H new ATOM 0 HB VAL A 426 11.566 -10.130 2.514 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.817 -12.466 2.655 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.224 -12.129 3.692 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.603 -12.276 4.411 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.215 -10.727 2.120 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.856 -10.376 3.828 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.411 -9.074 2.749 1.00 0.21 H new ATOM 472 N GLY A 427 13.499 -10.462 5.498 1.00 0.26 N ATOM 473 CA GLY A 427 14.949 -10.577 5.577 1.00 0.29 C ATOM 474 C GLY A 427 15.525 -9.711 6.677 1.00 0.32 C ATOM 475 O GLY A 427 16.449 -10.117 7.386 1.00 0.38 O ATOM 0 H GLY A 427 12.985 -11.027 6.174 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.222 -11.617 5.754 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.388 -10.290 4.622 1.00 0.29 H new ATOM 479 N THR A 428 14.986 -8.512 6.809 1.00 0.31 N ATOM 480 CA THR A 428 15.370 -7.609 7.872 1.00 0.37 C ATOM 481 C THR A 428 14.441 -7.733 9.056 1.00 0.41 C ATOM 482 O THR A 428 13.410 -8.407 8.992 1.00 0.41 O ATOM 483 CB THR A 428 15.325 -6.150 7.420 1.00 0.37 C ATOM 484 OG1 THR A 428 14.202 -5.932 6.553 1.00 0.30 O ATOM 485 CG2 THR A 428 16.612 -5.740 6.724 1.00 0.42 C ATOM 0 H THR A 428 14.272 -8.140 6.183 1.00 0.31 H new ATOM 0 HA THR A 428 16.387 -7.887 8.148 1.00 0.37 H new ATOM 0 HB THR A 428 15.216 -5.531 8.310 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.119 -4.975 6.360 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.543 -4.696 6.417 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.451 -5.862 7.409 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.767 -6.367 5.846 1.00 0.42 H new ATOM 493 N ASP A 429 14.810 -7.073 10.141 1.00 0.48 N ATOM 494 CA ASP A 429 13.931 -6.958 11.282 1.00 0.54 C ATOM 495 C ASP A 429 13.247 -5.600 11.290 1.00 0.49 C ATOM 496 O ASP A 429 12.945 -5.040 12.344 1.00 0.59 O ATOM 497 CB ASP A 429 14.699 -7.152 12.579 1.00 0.69 C ATOM 498 CG ASP A 429 13.806 -7.577 13.728 1.00 1.09 C ATOM 499 OD1 ASP A 429 13.278 -8.709 13.694 1.00 1.06 O ATOM 500 OD2 ASP A 429 13.642 -6.795 14.684 1.00 1.78 O ATOM 0 H ASP A 429 15.712 -6.611 10.251 1.00 0.48 H new ATOM 0 HA ASP A 429 13.175 -7.739 11.203 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.474 -7.904 12.429 1.00 0.69 H new ATOM 0 HB3 ASP A 429 15.203 -6.222 12.841 1.00 0.69 H new ATOM 505 N GLU A 430 13.018 -5.060 10.104 1.00 0.40 N ATOM 506 CA GLU A 430 12.343 -3.788 9.971 1.00 0.38 C ATOM 507 C GLU A 430 10.861 -3.956 10.139 1.00 0.31 C ATOM 508 O GLU A 430 10.319 -5.061 10.053 1.00 0.33 O ATOM 509 CB GLU A 430 12.641 -3.147 8.611 1.00 0.38 C ATOM 510 CG GLU A 430 14.084 -2.720 8.406 1.00 0.48 C ATOM 511 CD GLU A 430 14.339 -2.223 6.997 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.153 -3.011 6.048 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.732 -1.046 6.838 1.00 1.64 O ATOM 0 H GLU A 430 13.292 -5.488 9.220 1.00 0.40 H new ATOM 0 HA GLU A 430 12.717 -3.130 10.755 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.372 -3.854 7.826 1.00 0.38 H new ATOM 0 HB3 GLU A 430 11.999 -2.275 8.489 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.333 -1.933 9.118 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.744 -3.561 8.618 1.00 0.48 H new ATOM 520 N GLU A 431 10.220 -2.846 10.392 1.00 0.29 N ATOM 521 CA GLU A 431 8.822 -2.829 10.619 1.00 0.26 C ATOM 522 C GLU A 431 8.120 -2.410 9.338 1.00 0.24 C ATOM 523 O GLU A 431 8.716 -1.774 8.466 1.00 0.26 O ATOM 524 CB GLU A 431 8.514 -1.873 11.767 1.00 0.29 C ATOM 525 CG GLU A 431 8.269 -0.452 11.314 1.00 0.63 C ATOM 526 CD GLU A 431 7.798 0.451 12.435 1.00 0.87 C ATOM 527 OE1 GLU A 431 8.642 1.119 13.066 1.00 1.11 O ATOM 528 OE2 GLU A 431 6.574 0.499 12.697 1.00 1.05 O ATOM 0 H GLU A 431 10.666 -1.930 10.444 1.00 0.29 H new ATOM 0 HA GLU A 431 8.463 -3.820 10.898 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.636 -2.232 12.304 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.345 -1.884 12.472 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.188 -0.047 10.890 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.524 -0.453 10.518 1.00 0.63 H new ATOM 535 N PRO A 432 6.858 -2.794 9.205 1.00 0.23 N ATOM 536 CA PRO A 432 6.053 -2.449 8.049 1.00 0.21 C ATOM 537 C PRO A 432 5.890 -0.955 7.939 1.00 0.20 C ATOM 538 O PRO A 432 5.283 -0.311 8.798 1.00 0.24 O ATOM 539 CB PRO A 432 4.697 -3.120 8.300 1.00 0.24 C ATOM 540 CG PRO A 432 4.722 -3.606 9.719 1.00 0.23 C ATOM 541 CD PRO A 432 6.144 -3.573 10.201 1.00 0.24 C ATOM 0 HA PRO A 432 6.512 -2.781 7.118 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.880 -2.415 8.145 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.539 -3.948 7.609 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.093 -2.976 10.348 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.323 -4.618 9.781 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.216 -3.115 11.187 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.556 -4.579 10.286 1.00 0.24 H new ATOM 549 N LEU A 433 6.428 -0.415 6.872 1.00 0.20 N ATOM 550 CA LEU A 433 6.316 0.986 6.592 1.00 0.20 C ATOM 551 C LEU A 433 4.917 1.279 6.137 1.00 0.20 C ATOM 552 O LEU A 433 4.489 0.844 5.066 1.00 0.30 O ATOM 553 CB LEU A 433 7.300 1.347 5.515 1.00 0.22 C ATOM 554 CG LEU A 433 8.764 1.232 5.949 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.675 1.110 4.755 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.162 2.439 6.776 1.00 0.73 C ATOM 0 H LEU A 433 6.956 -0.941 6.175 1.00 0.20 H new ATOM 0 HA LEU A 433 6.532 1.573 7.485 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.135 0.700 4.654 1.00 0.22 H new ATOM 0 HB3 LEU A 433 7.107 2.369 5.188 1.00 0.22 H new ATOM 0 HG LEU A 433 8.865 0.331 6.554 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.708 1.030 5.092 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.410 0.220 4.184 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.567 1.992 4.123 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.205 2.345 7.078 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.036 3.344 6.182 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.531 2.496 7.663 1.00 0.73 H new ATOM 568 N GLN A 434 4.201 1.976 6.971 1.00 0.17 N ATOM 569 CA GLN A 434 2.828 2.268 6.692 1.00 0.17 C ATOM 570 C GLN A 434 2.665 3.663 6.157 1.00 0.20 C ATOM 571 O GLN A 434 3.071 4.652 6.768 1.00 0.27 O ATOM 572 CB GLN A 434 1.956 2.031 7.911 1.00 0.18 C ATOM 573 CG GLN A 434 1.408 0.621 7.952 1.00 0.21 C ATOM 574 CD GLN A 434 0.540 0.346 9.162 1.00 0.38 C ATOM 575 OE1 GLN A 434 -0.671 0.566 9.131 1.00 1.26 O ATOM 576 NE2 GLN A 434 1.143 -0.138 10.231 1.00 0.74 N ATOM 0 H GLN A 434 4.548 2.353 7.853 1.00 0.17 H new ATOM 0 HA GLN A 434 2.494 1.581 5.915 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.536 2.221 8.814 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.129 2.741 7.909 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.826 0.439 7.048 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.239 -0.084 7.943 1.00 0.21 H new ATOM 0 HE21 GLN A 434 2.149 -0.307 10.217 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.603 -0.344 11.072 1.00 0.74 H new ATOM 585 N PHE A 435 2.080 3.706 4.995 1.00 0.20 N ATOM 586 CA PHE A 435 1.866 4.948 4.275 1.00 0.23 C ATOM 587 C PHE A 435 0.385 5.177 4.065 1.00 0.21 C ATOM 588 O PHE A 435 -0.332 4.281 3.631 1.00 0.24 O ATOM 589 CB PHE A 435 2.595 4.925 2.933 1.00 0.25 C ATOM 590 CG PHE A 435 4.090 5.010 3.049 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.868 3.866 2.970 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.714 6.230 3.240 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.242 3.940 3.079 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.088 6.311 3.351 1.00 0.46 C ATOM 595 CZ PHE A 435 6.854 5.165 3.258 1.00 0.47 C ATOM 0 H PHE A 435 1.732 2.880 4.509 1.00 0.20 H new ATOM 0 HA PHE A 435 2.269 5.768 4.869 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.333 4.008 2.405 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.240 5.756 2.324 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.394 2.907 2.822 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.120 7.129 3.303 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.838 3.041 3.024 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.563 7.268 3.510 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.930 5.227 3.325 1.00 0.47 H new ATOM 605 N ARG A 436 -0.066 6.371 4.375 1.00 0.22 N ATOM 606 CA ARG A 436 -1.476 6.689 4.304 1.00 0.21 C ATOM 607 C ARG A 436 -1.735 7.796 3.293 1.00 0.19 C ATOM 608 O ARG A 436 -1.152 8.875 3.375 1.00 0.27 O ATOM 609 CB ARG A 436 -1.984 7.094 5.683 1.00 0.27 C ATOM 610 CG ARG A 436 -3.419 7.581 5.687 1.00 0.72 C ATOM 611 CD ARG A 436 -3.919 7.797 7.102 1.00 0.74 C ATOM 612 NE ARG A 436 -3.062 8.705 7.861 1.00 1.52 N ATOM 613 CZ ARG A 436 -3.372 9.183 9.063 1.00 2.15 C ATOM 614 NH1 ARG A 436 -4.557 8.920 9.600 1.00 2.32 N ATOM 615 NH2 ARG A 436 -2.508 9.946 9.715 1.00 3.14 N ATOM 0 H ARG A 436 0.526 7.143 4.681 1.00 0.22 H new ATOM 0 HA ARG A 436 -2.016 5.802 3.972 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.898 6.241 6.357 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -1.342 7.880 6.080 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.491 8.513 5.126 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -4.054 6.854 5.181 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -4.932 8.199 7.070 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -3.973 6.837 7.616 1.00 0.74 H new ATOM 0 HE ARG A 436 -2.175 8.989 7.445 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -5.233 8.350 9.091 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -4.792 9.288 10.522 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -1.605 10.167 9.295 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -2.746 10.313 10.637 1.00 3.14 H new ATOM 629 N VAL A 437 -2.609 7.513 2.346 1.00 0.17 N ATOM 630 CA VAL A 437 -2.962 8.462 1.311 1.00 0.16 C ATOM 631 C VAL A 437 -4.467 8.644 1.251 1.00 0.16 C ATOM 632 O VAL A 437 -5.236 7.798 1.722 1.00 0.17 O ATOM 633 CB VAL A 437 -2.432 8.037 -0.078 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.913 7.985 -0.079 1.00 0.20 C ATOM 635 CG2 VAL A 437 -3.016 6.699 -0.501 1.00 0.14 C ATOM 0 H VAL A 437 -3.094 6.618 2.274 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.488 9.409 1.572 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.751 8.786 -0.803 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.560 7.684 -1.065 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.515 8.970 0.164 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.573 7.263 0.664 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.626 6.425 -1.481 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.739 5.935 0.226 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.102 6.776 -0.551 1.00 0.14 H new ATOM 645 N PRO A 438 -4.874 9.785 0.702 1.00 0.17 N ATOM 646 CA PRO A 438 -6.279 10.178 0.550 1.00 0.18 C ATOM 647 C PRO A 438 -7.127 9.069 -0.084 1.00 0.16 C ATOM 648 O PRO A 438 -6.673 8.357 -0.979 1.00 0.14 O ATOM 649 CB PRO A 438 -6.171 11.405 -0.382 1.00 0.19 C ATOM 650 CG PRO A 438 -4.847 11.982 -0.024 1.00 0.21 C ATOM 651 CD PRO A 438 -3.958 10.812 0.201 1.00 0.19 C ATOM 0 HA PRO A 438 -6.773 10.383 1.500 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.216 11.119 -1.433 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.980 12.115 -0.210 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.466 12.618 -0.823 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.916 12.601 0.870 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.466 10.498 -0.719 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -3.172 11.037 0.922 1.00 0.19 H new ATOM 659 N GLY A 439 -8.366 8.946 0.383 1.00 0.19 N ATOM 660 CA GLY A 439 -9.214 7.830 0.024 1.00 0.20 C ATOM 661 C GLY A 439 -9.656 7.802 -1.426 1.00 0.18 C ATOM 662 O GLY A 439 -10.305 6.844 -1.855 1.00 0.20 O ATOM 0 H GLY A 439 -8.802 9.616 1.017 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.683 6.904 0.244 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -10.100 7.848 0.658 1.00 0.20 H new ATOM 666 N THR A 440 -9.361 8.842 -2.179 1.00 0.16 N ATOM 667 CA THR A 440 -9.692 8.844 -3.589 1.00 0.18 C ATOM 668 C THR A 440 -8.453 8.551 -4.457 1.00 0.16 C ATOM 669 O THR A 440 -8.576 8.166 -5.620 1.00 0.19 O ATOM 670 CB THR A 440 -10.309 10.187 -4.003 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.546 11.268 -3.448 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.755 10.287 -3.539 1.00 0.29 C ATOM 0 H THR A 440 -8.898 9.687 -1.844 1.00 0.16 H new ATOM 0 HA THR A 440 -10.423 8.052 -3.752 1.00 0.18 H new ATOM 0 HB THR A 440 -10.290 10.250 -5.091 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.944 12.122 -3.718 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.170 11.248 -3.845 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.337 9.482 -3.987 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.795 10.203 -2.453 1.00 0.29 H new ATOM 680 N SER A 441 -7.261 8.745 -3.882 1.00 0.13 N ATOM 681 CA SER A 441 -5.999 8.443 -4.551 1.00 0.12 C ATOM 682 C SER A 441 -5.888 6.961 -4.905 1.00 0.11 C ATOM 683 O SER A 441 -6.376 6.101 -4.179 1.00 0.12 O ATOM 684 CB SER A 441 -4.848 8.838 -3.633 1.00 0.13 C ATOM 685 OG SER A 441 -4.910 10.217 -3.307 1.00 0.16 O ATOM 0 H SER A 441 -7.148 9.116 -2.939 1.00 0.13 H new ATOM 0 HA SER A 441 -5.958 9.009 -5.482 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.885 8.243 -2.721 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.898 8.618 -4.119 1.00 0.13 H new ATOM 0 HG SER A 441 -4.084 10.483 -2.852 1.00 0.16 H new ATOM 691 N THR A 442 -5.249 6.660 -6.027 1.00 0.10 N ATOM 692 CA THR A 442 -5.090 5.281 -6.448 1.00 0.12 C ATOM 693 C THR A 442 -3.624 4.941 -6.699 1.00 0.13 C ATOM 694 O THR A 442 -3.304 3.916 -7.302 1.00 0.16 O ATOM 695 CB THR A 442 -5.934 4.975 -7.699 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.724 5.986 -8.693 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.413 4.905 -7.341 1.00 0.17 C ATOM 0 H THR A 442 -4.836 7.349 -6.656 1.00 0.10 H new ATOM 0 HA THR A 442 -5.450 4.653 -5.633 1.00 0.12 H new ATOM 0 HB THR A 442 -5.623 4.009 -8.097 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.263 5.782 -9.486 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.994 4.688 -8.237 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.572 4.117 -6.605 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.732 5.860 -6.924 1.00 0.17 H new ATOM 705 N SER A 443 -2.727 5.808 -6.238 1.00 0.12 N ATOM 706 CA SER A 443 -1.294 5.571 -6.371 1.00 0.15 C ATOM 707 C SER A 443 -0.529 6.325 -5.285 1.00 0.15 C ATOM 708 O SER A 443 -0.981 7.365 -4.805 1.00 0.19 O ATOM 709 CB SER A 443 -0.792 6.001 -7.752 1.00 0.17 C ATOM 710 OG SER A 443 -1.609 5.480 -8.787 1.00 1.08 O ATOM 0 H SER A 443 -2.968 6.681 -5.769 1.00 0.12 H new ATOM 0 HA SER A 443 -1.118 4.501 -6.257 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.777 7.089 -7.812 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.234 5.660 -7.890 1.00 0.17 H new ATOM 0 HG SER A 443 -1.263 5.774 -9.656 1.00 1.08 H new ATOM 716 N ALA A 444 0.616 5.781 -4.893 1.00 0.14 N ATOM 717 CA ALA A 444 1.459 6.392 -3.871 1.00 0.15 C ATOM 718 C ALA A 444 2.899 6.049 -4.069 1.00 0.16 C ATOM 719 O ALA A 444 3.257 4.971 -4.542 1.00 0.15 O ATOM 720 CB ALA A 444 1.019 5.974 -2.480 1.00 0.16 C ATOM 0 H ALA A 444 0.986 4.909 -5.271 1.00 0.14 H new ATOM 0 HA ALA A 444 1.346 7.472 -3.969 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.664 6.444 -1.738 1.00 0.16 H new ATOM 0 HB2 ALA A 444 -0.012 6.287 -2.315 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.088 4.890 -2.387 1.00 0.16 H new ATOM 726 N THR A 445 3.709 7.006 -3.715 1.00 0.24 N ATOM 727 CA THR A 445 5.126 6.871 -3.778 1.00 0.25 C ATOM 728 C THR A 445 5.671 6.493 -2.425 1.00 0.26 C ATOM 729 O THR A 445 5.607 7.253 -1.457 1.00 0.33 O ATOM 730 CB THR A 445 5.746 8.176 -4.267 1.00 0.31 C ATOM 731 OG1 THR A 445 5.333 8.431 -5.619 1.00 0.34 O ATOM 732 CG2 THR A 445 7.268 8.136 -4.177 1.00 0.34 C ATOM 0 H THR A 445 3.393 7.913 -3.370 1.00 0.24 H new ATOM 0 HA THR A 445 5.382 6.079 -4.482 1.00 0.25 H new ATOM 0 HB THR A 445 5.398 8.984 -3.623 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.744 7.771 -6.216 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.678 9.081 -4.533 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.567 7.978 -3.141 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.648 7.321 -4.793 1.00 0.34 H new ATOM 740 N LEU A 446 6.173 5.288 -2.374 1.00 0.22 N ATOM 741 CA LEU A 446 6.691 4.724 -1.142 1.00 0.25 C ATOM 742 C LEU A 446 8.152 5.086 -0.937 1.00 0.24 C ATOM 743 O LEU A 446 9.051 4.407 -1.428 1.00 0.23 O ATOM 744 CB LEU A 446 6.494 3.190 -1.125 1.00 0.25 C ATOM 745 CG LEU A 446 5.211 2.670 -0.434 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.977 3.417 -0.920 1.00 0.65 C ATOM 747 CD2 LEU A 446 5.058 1.173 -0.695 1.00 0.59 C ATOM 0 H LEU A 446 6.237 4.666 -3.180 1.00 0.22 H new ATOM 0 HA LEU A 446 6.129 5.154 -0.313 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.496 2.834 -2.155 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.355 2.740 -0.630 1.00 0.25 H new ATOM 0 HG LEU A 446 5.304 2.845 0.638 1.00 0.32 H new ATOM 0 HD11 LEU A 446 3.093 3.027 -0.415 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.083 4.479 -0.698 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.870 3.281 -1.996 1.00 0.65 H new ATOM 0 HD21 LEU A 446 4.154 0.809 -0.207 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.988 0.996 -1.768 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.923 0.644 -0.296 1.00 0.59 H new ATOM 759 N THR A 447 8.368 6.166 -0.203 1.00 0.30 N ATOM 760 CA THR A 447 9.706 6.635 0.118 1.00 0.30 C ATOM 761 C THR A 447 10.256 5.948 1.360 1.00 0.29 C ATOM 762 O THR A 447 9.678 6.031 2.443 1.00 0.36 O ATOM 763 CB THR A 447 9.710 8.149 0.374 1.00 0.39 C ATOM 764 OG1 THR A 447 8.385 8.601 0.699 1.00 0.86 O ATOM 765 CG2 THR A 447 10.244 8.924 -0.810 1.00 0.60 C ATOM 0 H THR A 447 7.621 6.741 0.187 1.00 0.30 H new ATOM 0 HA THR A 447 10.333 6.396 -0.741 1.00 0.30 H new ATOM 0 HB THR A 447 10.376 8.334 1.217 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.400 9.567 0.862 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.228 9.990 -0.584 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.268 8.612 -1.017 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.621 8.729 -1.683 1.00 0.60 H new ATOM 773 N GLY A 448 11.370 5.271 1.197 1.00 0.30 N ATOM 774 CA GLY A 448 12.081 4.751 2.347 1.00 0.38 C ATOM 775 C GLY A 448 12.153 3.239 2.426 1.00 0.30 C ATOM 776 O GLY A 448 12.559 2.701 3.454 1.00 0.38 O ATOM 0 H GLY A 448 11.800 5.069 0.294 1.00 0.30 H new ATOM 0 HA2 GLY A 448 13.096 5.148 2.338 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.601 5.125 3.251 1.00 0.38 H new ATOM 780 N LEU A 449 11.756 2.539 1.373 1.00 0.28 N ATOM 781 CA LEU A 449 12.023 1.121 1.296 1.00 0.25 C ATOM 782 C LEU A 449 13.519 0.907 1.117 1.00 0.25 C ATOM 783 O LEU A 449 14.101 1.348 0.122 1.00 0.34 O ATOM 784 CB LEU A 449 11.242 0.480 0.148 1.00 0.24 C ATOM 785 CG LEU A 449 9.738 0.762 0.138 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.064 0.019 -1.000 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.118 0.373 1.457 1.00 0.23 C ATOM 0 H LEU A 449 11.255 2.928 0.574 1.00 0.28 H new ATOM 0 HA LEU A 449 11.697 0.643 2.220 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.665 0.826 -0.795 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.392 -0.599 0.187 1.00 0.24 H new ATOM 0 HG LEU A 449 9.592 1.832 -0.012 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.995 0.232 -0.991 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.490 0.343 -1.949 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.222 -1.053 -0.879 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.048 0.581 1.432 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.277 -0.691 1.634 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.580 0.948 2.260 1.00 0.23 H new ATOM 799 N THR A 450 14.141 0.275 2.099 1.00 0.22 N ATOM 800 CA THR A 450 15.573 0.038 2.069 1.00 0.23 C ATOM 801 C THR A 450 15.939 -0.889 0.933 1.00 0.22 C ATOM 802 O THR A 450 15.591 -2.069 0.901 1.00 0.38 O ATOM 803 CB THR A 450 16.079 -0.541 3.403 1.00 0.27 C ATOM 804 OG1 THR A 450 15.614 0.267 4.496 1.00 0.32 O ATOM 805 CG2 THR A 450 17.599 -0.602 3.428 1.00 0.34 C ATOM 0 H THR A 450 13.672 -0.084 2.931 1.00 0.22 H new ATOM 0 HA THR A 450 16.058 1.002 1.911 1.00 0.23 H new ATOM 0 HB THR A 450 15.688 -1.554 3.503 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.339 -0.312 5.237 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.931 -1.015 4.381 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.951 -1.237 2.615 1.00 0.34 H new ATOM 0 HG23 THR A 450 18.005 0.402 3.306 1.00 0.34 H new ATOM 813 N ARG A 451 16.605 -0.289 -0.017 1.00 0.29 N ATOM 814 CA ARG A 451 17.130 -0.971 -1.170 1.00 0.26 C ATOM 815 C ARG A 451 17.989 -2.163 -0.797 1.00 0.26 C ATOM 816 O ARG A 451 18.886 -2.089 0.046 1.00 0.30 O ATOM 817 CB ARG A 451 17.888 0.029 -2.013 1.00 0.31 C ATOM 818 CG ARG A 451 19.035 0.651 -1.267 1.00 0.32 C ATOM 819 CD ARG A 451 19.492 1.925 -1.929 1.00 0.43 C ATOM 820 NE ARG A 451 20.667 2.505 -1.284 1.00 1.32 N ATOM 821 CZ ARG A 451 21.302 3.581 -1.744 1.00 1.75 C ATOM 822 NH1 ARG A 451 20.909 4.150 -2.878 1.00 1.39 N ATOM 823 NH2 ARG A 451 22.338 4.073 -1.080 1.00 2.70 N ATOM 0 H ARG A 451 16.802 0.712 -0.011 1.00 0.29 H new ATOM 0 HA ARG A 451 16.302 -1.382 -1.747 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.265 -0.466 -2.908 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.206 0.812 -2.345 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.733 0.860 -0.241 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.865 -0.054 -1.218 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.719 1.724 -2.976 1.00 0.43 H new ATOM 0 HD3 ARG A 451 18.678 2.650 -1.913 1.00 0.43 H new ATOM 0 HE ARG A 451 21.020 2.062 -0.436 1.00 1.32 H new ATOM 0 HH11 ARG A 451 20.121 3.763 -3.396 1.00 1.39 H new ATOM 0 HH12 ARG A 451 21.396 4.974 -3.230 1.00 1.39 H new ATOM 0 HH21 ARG A 451 22.649 3.627 -0.217 1.00 2.70 H new ATOM 0 HH22 ARG A 451 22.825 4.897 -1.432 1.00 2.70 H new ATOM 837 N GLY A 452 17.665 -3.267 -1.432 1.00 0.28 N ATOM 838 CA GLY A 452 18.333 -4.511 -1.196 1.00 0.34 C ATOM 839 C GLY A 452 17.562 -5.391 -0.237 1.00 0.32 C ATOM 840 O GLY A 452 17.974 -6.510 0.073 1.00 0.41 O ATOM 0 H GLY A 452 16.924 -3.319 -2.131 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.468 -5.036 -2.142 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.327 -4.319 -0.793 1.00 0.34 H new ATOM 844 N ALA A 453 16.439 -4.874 0.229 1.00 0.32 N ATOM 845 CA ALA A 453 15.555 -5.607 1.113 1.00 0.31 C ATOM 846 C ALA A 453 14.247 -5.879 0.430 1.00 0.27 C ATOM 847 O ALA A 453 13.760 -5.099 -0.396 1.00 0.35 O ATOM 848 CB ALA A 453 15.339 -4.838 2.410 1.00 0.32 C ATOM 0 H ALA A 453 16.115 -3.933 0.004 1.00 0.32 H new ATOM 0 HA ALA A 453 16.020 -6.562 1.359 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.673 -5.403 3.062 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.297 -4.691 2.910 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.893 -3.868 2.188 1.00 0.32 H new ATOM 854 N THR A 454 13.727 -7.026 0.755 1.00 0.23 N ATOM 855 CA THR A 454 12.470 -7.487 0.257 1.00 0.21 C ATOM 856 C THR A 454 11.331 -6.863 1.054 1.00 0.17 C ATOM 857 O THR A 454 11.395 -6.776 2.279 1.00 0.19 O ATOM 858 CB THR A 454 12.436 -9.000 0.389 1.00 0.22 C ATOM 859 OG1 THR A 454 13.421 -9.603 -0.447 1.00 0.29 O ATOM 860 CG2 THR A 454 11.067 -9.566 0.040 1.00 0.24 C ATOM 0 H THR A 454 14.180 -7.682 1.391 1.00 0.23 H new ATOM 0 HA THR A 454 12.350 -7.200 -0.788 1.00 0.21 H new ATOM 0 HB THR A 454 12.651 -9.232 1.432 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.282 -9.318 -1.374 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.084 -10.651 0.147 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.318 -9.147 0.712 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.817 -9.306 -0.989 1.00 0.24 H new ATOM 868 N TYR A 455 10.305 -6.425 0.358 1.00 0.16 N ATOM 869 CA TYR A 455 9.175 -5.773 0.979 1.00 0.16 C ATOM 870 C TYR A 455 7.862 -6.330 0.438 1.00 0.13 C ATOM 871 O TYR A 455 7.583 -6.240 -0.757 1.00 0.15 O ATOM 872 CB TYR A 455 9.246 -4.268 0.723 1.00 0.23 C ATOM 873 CG TYR A 455 10.252 -3.535 1.590 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.964 -3.212 2.910 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.491 -3.165 1.081 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.881 -2.541 3.694 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.414 -2.496 1.864 1.00 0.30 C ATOM 878 CZ TYR A 455 12.090 -2.194 3.193 1.00 0.26 C ATOM 879 OH TYR A 455 13.020 -1.515 3.951 1.00 0.29 O ATOM 0 H TYR A 455 10.231 -6.511 -0.656 1.00 0.16 H new ATOM 0 HA TYR A 455 9.211 -5.963 2.052 1.00 0.16 H new ATOM 0 HB2 TYR A 455 9.496 -4.101 -0.325 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.259 -3.836 0.888 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.008 -3.490 3.329 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.737 -3.404 0.057 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.632 -2.291 4.715 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.372 -2.210 1.456 1.00 0.30 H new ATOM 0 HH TYR A 455 13.373 -2.110 4.645 1.00 0.29 H new ATOM 889 N ASN A 456 7.074 -6.928 1.318 1.00 0.12 N ATOM 890 CA ASN A 456 5.745 -7.399 0.958 1.00 0.12 C ATOM 891 C ASN A 456 4.768 -6.259 1.120 1.00 0.13 C ATOM 892 O ASN A 456 4.376 -5.896 2.233 1.00 0.15 O ATOM 893 CB ASN A 456 5.325 -8.598 1.818 1.00 0.14 C ATOM 894 CG ASN A 456 4.104 -9.325 1.244 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.799 -9.187 0.060 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.417 -10.150 2.045 1.00 0.20 N ATOM 0 H ASN A 456 7.333 -7.099 2.290 1.00 0.12 H new ATOM 0 HA ASN A 456 5.753 -7.735 -0.079 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.158 -9.297 1.895 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.100 -8.257 2.829 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.626 -10.677 1.676 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.685 -10.251 3.024 1.00 0.20 H new ATOM 903 N ILE A 457 4.405 -5.688 -0.004 1.00 0.13 N ATOM 904 CA ILE A 457 3.601 -4.494 -0.039 1.00 0.14 C ATOM 905 C ILE A 457 2.123 -4.845 -0.064 1.00 0.14 C ATOM 906 O ILE A 457 1.611 -5.386 -1.044 1.00 0.18 O ATOM 907 CB ILE A 457 3.971 -3.647 -1.271 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.402 -3.116 -1.135 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.984 -2.492 -1.453 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.901 -2.377 -2.358 1.00 0.22 C ATOM 0 H ILE A 457 4.662 -6.043 -0.925 1.00 0.13 H new ATOM 0 HA ILE A 457 3.799 -3.913 0.862 1.00 0.14 H new ATOM 0 HB ILE A 457 3.915 -4.281 -2.156 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.451 -2.449 -0.274 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.071 -3.952 -0.929 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.265 -1.908 -2.329 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.979 -2.891 -1.590 1.00 0.18 H new ATOM 0 HG23 ILE A 457 3.004 -1.854 -0.570 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.920 -2.032 -2.184 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.886 -3.046 -3.219 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.257 -1.520 -2.553 1.00 0.22 H new ATOM 922 N ILE A 458 1.452 -4.548 1.029 1.00 0.16 N ATOM 923 CA ILE A 458 0.034 -4.815 1.155 1.00 0.18 C ATOM 924 C ILE A 458 -0.721 -3.507 1.324 1.00 0.20 C ATOM 925 O ILE A 458 -0.385 -2.701 2.179 1.00 0.29 O ATOM 926 CB ILE A 458 -0.249 -5.746 2.347 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.367 -7.119 2.087 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.742 -5.880 2.588 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.146 -8.093 3.213 1.00 0.27 C ATOM 0 H ILE A 458 1.872 -4.116 1.852 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.305 -5.315 0.248 1.00 0.18 H new ATOM 0 HB ILE A 458 0.201 -5.312 3.240 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.055 -7.532 1.171 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.438 -7.004 1.921 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.916 -6.543 3.436 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.165 -4.899 2.802 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.218 -6.295 1.699 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.609 -9.048 2.964 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.593 -7.701 4.127 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.924 -8.237 3.365 1.00 0.27 H new ATOM 941 N VAL A 459 -1.727 -3.294 0.500 1.00 0.17 N ATOM 942 CA VAL A 459 -2.477 -2.053 0.521 1.00 0.18 C ATOM 943 C VAL A 459 -3.824 -2.288 1.167 1.00 0.18 C ATOM 944 O VAL A 459 -4.522 -3.224 0.803 1.00 0.23 O ATOM 945 CB VAL A 459 -2.687 -1.500 -0.903 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.269 -0.092 -0.870 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.386 -1.547 -1.694 1.00 0.20 C ATOM 0 H VAL A 459 -2.046 -3.968 -0.196 1.00 0.17 H new ATOM 0 HA VAL A 459 -1.906 -1.322 1.093 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.412 -2.137 -1.410 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.405 0.269 -1.889 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.232 -0.108 -0.359 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.587 0.571 -0.338 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.555 -1.153 -2.696 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.631 -0.944 -1.189 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.040 -2.578 -1.764 1.00 0.20 H new ATOM 957 N GLU A 460 -4.171 -1.466 2.135 1.00 0.18 N ATOM 958 CA GLU A 460 -5.451 -1.594 2.807 1.00 0.22 C ATOM 959 C GLU A 460 -6.301 -0.351 2.612 1.00 0.21 C ATOM 960 O GLU A 460 -5.798 0.771 2.560 1.00 0.30 O ATOM 961 CB GLU A 460 -5.267 -1.861 4.297 1.00 0.30 C ATOM 962 CG GLU A 460 -4.681 -3.227 4.615 1.00 0.36 C ATOM 963 CD GLU A 460 -4.501 -3.448 6.103 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.524 -2.927 6.671 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.336 -4.151 6.718 1.00 0.82 O ATOM 0 H GLU A 460 -3.587 -0.702 2.475 1.00 0.18 H new ATOM 0 HA GLU A 460 -5.965 -2.444 2.359 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.617 -1.092 4.715 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.233 -1.767 4.794 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.333 -4.002 4.212 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.717 -3.331 4.116 1.00 0.36 H new ATOM 972 N ALA A 461 -7.592 -0.572 2.504 1.00 0.16 N ATOM 973 CA ALA A 461 -8.551 0.496 2.335 1.00 0.15 C ATOM 974 C ALA A 461 -9.353 0.690 3.592 1.00 0.14 C ATOM 975 O ALA A 461 -10.081 -0.202 4.027 1.00 0.17 O ATOM 976 CB ALA A 461 -9.474 0.192 1.168 1.00 0.16 C ATOM 0 H ALA A 461 -8.008 -1.503 2.531 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.008 1.417 2.125 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.192 1.004 1.051 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.886 0.093 0.255 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.007 -0.739 1.359 1.00 0.16 H new ATOM 982 N LEU A 462 -9.212 1.862 4.166 1.00 0.16 N ATOM 983 CA LEU A 462 -9.987 2.236 5.314 1.00 0.20 C ATOM 984 C LEU A 462 -11.369 2.654 4.827 1.00 0.22 C ATOM 985 O LEU A 462 -11.541 3.713 4.217 1.00 0.24 O ATOM 986 CB LEU A 462 -9.321 3.376 6.090 1.00 0.25 C ATOM 987 CG LEU A 462 -9.488 3.286 7.612 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.521 4.194 8.337 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.907 3.624 8.010 1.00 0.78 C ATOM 0 H LEU A 462 -8.558 2.577 3.848 1.00 0.16 H new ATOM 0 HA LEU A 462 -10.063 1.391 5.998 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.257 3.388 5.853 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.735 4.324 5.746 1.00 0.25 H new ATOM 0 HG LEU A 462 -9.267 2.259 7.902 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.671 4.101 9.413 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.499 3.910 8.088 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.695 5.227 8.034 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -11.007 3.555 9.093 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -11.144 4.638 7.687 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.594 2.923 7.537 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.331 1.791 5.053 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.682 1.991 4.581 1.00 0.30 C ATOM 1003 C LYS A 463 -14.624 1.612 5.705 1.00 0.40 C ATOM 1004 O LYS A 463 -14.494 0.517 6.253 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.934 1.094 3.366 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.143 1.469 2.514 1.00 0.38 C ATOM 1007 CD LYS A 463 -14.875 2.616 1.563 1.00 0.42 C ATOM 1008 CE LYS A 463 -13.960 2.197 0.441 1.00 0.95 C ATOM 1009 NZ LYS A 463 -12.597 1.845 0.915 1.00 1.62 N ATOM 0 H LYS A 463 -12.198 0.924 5.573 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.840 3.029 4.288 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -13.046 1.110 2.734 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -14.060 0.068 3.713 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.459 0.597 1.941 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.972 1.736 3.170 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -15.817 2.977 1.151 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.427 3.446 2.109 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -14.393 1.340 -0.075 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -13.890 3.006 -0.287 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -11.891 2.210 0.244 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -12.435 2.268 1.851 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -12.509 0.811 0.982 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.567 2.489 6.041 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.418 2.263 7.238 1.00 0.61 C ATOM 1025 C ASP A 464 -15.627 1.718 8.437 1.00 0.51 C ATOM 1026 O ASP A 464 -15.749 0.544 8.795 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.534 1.294 6.944 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.581 1.850 5.995 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.493 1.593 4.773 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.496 2.559 6.462 1.00 1.15 O ATOM 0 H ASP A 464 -15.769 3.346 5.526 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.820 3.243 7.493 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.112 0.385 6.516 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -18.016 1.012 7.880 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.844 2.588 9.041 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.986 2.296 10.198 1.00 0.49 C ATOM 1037 C GLN A 465 -12.915 1.207 9.998 1.00 0.44 C ATOM 1038 O GLN A 465 -11.942 1.174 10.755 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.843 1.931 11.403 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.835 3.011 11.782 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.559 2.694 13.070 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.011 2.035 13.957 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -17.794 3.150 13.179 1.00 1.39 N ATOM 0 H GLN A 465 -14.777 3.559 8.736 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.429 3.220 10.353 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.384 1.009 11.189 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.193 1.729 12.255 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.312 3.962 11.885 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.562 3.132 10.979 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -18.207 3.691 12.419 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -18.335 2.961 14.023 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.057 0.328 9.019 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.180 -0.838 8.941 1.00 0.36 C ATOM 1054 C GLN A 466 -11.321 -0.848 7.694 1.00 0.28 C ATOM 1055 O GLN A 466 -11.560 -0.109 6.744 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.006 -2.117 9.036 1.00 0.54 C ATOM 1057 CG GLN A 466 -13.621 -2.297 10.397 1.00 1.20 C ATOM 1058 CD GLN A 466 -14.497 -3.527 10.500 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.699 -3.470 10.239 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -13.904 -4.643 10.891 1.00 2.13 N ATOM 0 H GLN A 466 -13.756 0.393 8.279 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.494 -0.782 9.786 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.794 -2.095 8.283 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.372 -2.974 8.809 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -12.827 -2.361 11.141 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.214 -1.415 10.639 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -12.905 -4.645 11.097 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -14.446 -5.502 10.987 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.315 -1.707 7.719 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.307 -1.758 6.672 1.00 0.30 C ATOM 1071 C ARG A 467 -9.307 -3.111 5.969 1.00 0.33 C ATOM 1072 O ARG A 467 -9.073 -4.151 6.586 1.00 0.51 O ATOM 1073 CB ARG A 467 -7.926 -1.477 7.268 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.846 -0.141 7.986 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.608 -0.050 8.864 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.588 1.176 9.665 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.494 1.683 10.237 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.309 1.108 10.052 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.583 2.777 10.989 1.00 2.58 N ATOM 0 H ARG A 467 -10.174 -2.388 8.465 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.546 -0.995 5.932 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.670 -2.274 7.966 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.182 -1.500 6.472 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.833 0.666 7.253 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.737 -0.002 8.598 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.569 -0.915 9.526 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.717 -0.088 8.238 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.468 1.675 9.794 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.232 0.274 9.470 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.477 1.501 10.492 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.487 3.228 11.128 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.747 3.165 11.426 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.579 -3.083 4.679 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.581 -4.288 3.847 1.00 0.32 C ATOM 1095 C HIS A 468 -8.398 -4.226 2.874 1.00 0.24 C ATOM 1096 O HIS A 468 -8.024 -3.131 2.478 1.00 0.27 O ATOM 1097 CB HIS A 468 -10.903 -4.387 3.066 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.053 -4.894 3.883 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.619 -6.137 3.701 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.757 -4.306 4.880 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.620 -6.292 4.547 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -13.724 -5.196 5.272 1.00 1.25 N ATOM 0 H HIS A 468 -9.806 -2.228 4.171 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.486 -5.170 4.481 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.156 -3.403 2.672 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -10.760 -5.046 2.210 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.588 -3.321 5.289 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -14.247 -7.167 4.631 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.413 -5.036 6.007 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.804 -5.357 2.452 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.633 -5.235 1.566 1.00 0.40 C ATOM 1113 C LYS A 469 -7.094 -5.122 0.125 1.00 0.29 C ATOM 1114 O LYS A 469 -8.002 -5.822 -0.318 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.568 -6.329 1.679 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.968 -7.597 1.016 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.738 -8.396 0.643 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.949 -8.865 1.859 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.749 -9.752 2.747 1.00 0.84 N ATOM 0 H LYS A 469 -8.091 -6.307 2.690 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.129 -4.331 1.909 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -4.639 -5.971 1.236 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.365 -6.524 2.732 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.603 -8.181 1.682 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.556 -7.381 0.124 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -5.038 -9.262 0.054 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.093 -7.787 0.009 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -3.057 -9.397 1.527 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.611 -7.998 2.426 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.124 -10.192 3.452 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.478 -9.191 3.232 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -5.205 -10.493 2.178 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.467 -4.209 -0.576 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.805 -3.890 -1.946 1.00 0.18 C ATOM 1135 C VAL A 470 -5.862 -4.599 -2.887 1.00 0.18 C ATOM 1136 O VAL A 470 -6.220 -4.972 -4.005 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.669 -2.381 -2.167 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.120 -1.972 -3.562 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.422 -1.634 -1.084 1.00 0.59 C ATOM 0 H VAL A 470 -5.694 -3.656 -0.206 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.829 -4.209 -2.140 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.615 -2.113 -2.098 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.008 -0.894 -3.679 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.509 -2.483 -4.306 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.166 -2.245 -3.701 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.322 -0.561 -1.246 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.476 -1.910 -1.118 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.010 -1.894 -0.109 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.655 -4.799 -2.400 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.570 -5.283 -3.213 1.00 0.19 C ATOM 1151 C ARG A 471 -2.450 -5.801 -2.328 1.00 0.18 C ATOM 1152 O ARG A 471 -2.177 -5.235 -1.272 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.063 -4.164 -4.129 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.806 -4.546 -4.884 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.811 -4.003 -6.294 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.633 -4.458 -7.041 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.196 -3.912 -8.178 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -0.826 -2.877 -8.710 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.880 -4.404 -8.780 1.00 2.13 N ATOM 0 H ARG A 471 -4.403 -4.629 -1.426 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.926 -6.104 -3.835 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.845 -3.903 -4.843 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.866 -3.274 -3.532 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.933 -4.167 -4.352 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.715 -5.632 -4.913 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.717 -4.325 -6.807 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.830 -2.913 -6.267 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.110 -5.249 -6.664 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.651 -2.491 -8.251 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.486 -2.465 -9.579 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.373 -5.199 -8.374 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.214 -3.987 -9.649 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.832 -6.889 -2.745 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.681 -7.437 -2.053 1.00 0.18 C ATOM 1175 C GLU A 472 0.347 -7.901 -3.067 1.00 0.18 C ATOM 1176 O GLU A 472 0.003 -8.582 -4.037 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.080 -8.597 -1.140 1.00 0.21 C ATOM 1178 CG GLU A 472 0.054 -9.579 -0.887 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.219 -10.525 0.267 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.736 -10.878 0.989 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.387 -10.927 0.452 1.00 0.65 O ATOM 0 H GLU A 472 -2.113 -7.417 -3.571 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.252 -6.654 -1.428 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.426 -8.198 -0.186 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -1.920 -9.129 -1.586 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.230 -10.161 -1.791 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.969 -9.023 -0.683 1.00 0.21 H new ATOM 1188 N GLU A 473 1.597 -7.517 -2.859 1.00 0.16 N ATOM 1189 CA GLU A 473 2.648 -7.886 -3.785 1.00 0.17 C ATOM 1190 C GLU A 473 4.014 -7.753 -3.160 1.00 0.20 C ATOM 1191 O GLU A 473 4.312 -6.771 -2.485 1.00 0.26 O ATOM 1192 CB GLU A 473 2.538 -7.032 -5.052 1.00 0.23 C ATOM 1193 CG GLU A 473 3.535 -7.380 -6.138 1.00 0.27 C ATOM 1194 CD GLU A 473 3.347 -6.529 -7.376 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.295 -5.815 -7.763 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.243 -6.559 -7.961 1.00 1.25 O ATOM 0 H GLU A 473 1.903 -6.956 -2.064 1.00 0.16 H new ATOM 0 HA GLU A 473 2.522 -8.936 -4.049 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.531 -7.134 -5.456 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.668 -5.984 -4.780 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.547 -7.246 -5.757 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.430 -8.432 -6.402 1.00 0.27 H new ATOM 1203 N VAL A 474 4.846 -8.752 -3.397 1.00 0.24 N ATOM 1204 CA VAL A 474 6.160 -8.763 -2.813 1.00 0.28 C ATOM 1205 C VAL A 474 7.177 -8.170 -3.772 1.00 0.21 C ATOM 1206 O VAL A 474 7.293 -8.605 -4.917 1.00 0.28 O ATOM 1207 CB VAL A 474 6.639 -10.174 -2.436 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.810 -10.104 -1.468 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.509 -11.008 -1.864 1.00 1.22 C ATOM 0 H VAL A 474 4.630 -9.556 -3.986 1.00 0.24 H new ATOM 0 HA VAL A 474 6.082 -8.167 -1.904 1.00 0.28 H new ATOM 0 HB VAL A 474 6.979 -10.665 -3.348 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.133 -11.114 -1.214 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.635 -9.565 -1.934 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.502 -9.583 -0.561 1.00 0.80 H new ATOM 0 HG21 VAL A 474 5.882 -12.000 -1.608 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.118 -10.525 -0.968 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.714 -11.099 -2.604 1.00 1.22 H new ATOM 1219 N VAL A 475 7.913 -7.184 -3.309 1.00 0.19 N ATOM 1220 CA VAL A 475 8.946 -6.572 -4.130 1.00 0.19 C ATOM 1221 C VAL A 475 10.265 -6.558 -3.429 1.00 0.19 C ATOM 1222 O VAL A 475 10.363 -6.551 -2.212 1.00 0.26 O ATOM 1223 CB VAL A 475 8.635 -5.122 -4.531 1.00 0.22 C ATOM 1224 CG1 VAL A 475 9.365 -4.736 -5.811 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.150 -4.906 -4.678 1.00 0.32 C ATOM 0 H VAL A 475 7.820 -6.787 -2.374 1.00 0.19 H new ATOM 0 HA VAL A 475 8.980 -7.190 -5.027 1.00 0.19 H new ATOM 0 HB VAL A 475 8.994 -4.475 -3.731 1.00 0.22 H new ATOM 0 HG11 VAL A 475 9.125 -3.705 -6.070 1.00 0.41 H new ATOM 0 HG12 VAL A 475 10.440 -4.832 -5.660 1.00 0.41 H new ATOM 0 HG13 VAL A 475 9.053 -5.395 -6.621 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.959 -3.871 -4.962 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.760 -5.572 -5.448 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.656 -5.119 -3.730 1.00 0.32 H new ATOM 1235 N THR A 476 11.265 -6.572 -4.243 1.00 0.24 N ATOM 1236 CA THR A 476 12.622 -6.429 -3.813 1.00 0.24 C ATOM 1237 C THR A 476 13.189 -5.166 -4.426 1.00 0.26 C ATOM 1238 O THR A 476 13.209 -4.998 -5.646 1.00 0.33 O ATOM 1239 CB THR A 476 13.414 -7.653 -4.240 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.084 -8.770 -3.395 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.922 -7.397 -4.217 1.00 0.38 C ATOM 0 H THR A 476 11.163 -6.686 -5.252 1.00 0.24 H new ATOM 0 HA THR A 476 12.680 -6.350 -2.727 1.00 0.24 H new ATOM 0 HB THR A 476 13.140 -7.882 -5.270 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.597 -9.556 -3.677 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.449 -8.299 -4.529 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.163 -6.581 -4.899 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.230 -7.128 -3.207 1.00 0.38 H new ATOM 1249 N VAL A 477 13.625 -4.284 -3.566 1.00 0.25 N ATOM 1250 CA VAL A 477 13.988 -2.944 -3.958 1.00 0.29 C ATOM 1251 C VAL A 477 15.460 -2.865 -4.331 1.00 0.33 C ATOM 1252 O VAL A 477 16.301 -3.446 -3.657 1.00 0.37 O ATOM 1253 CB VAL A 477 13.672 -1.990 -2.799 1.00 0.28 C ATOM 1254 CG1 VAL A 477 14.176 -0.590 -3.071 1.00 0.35 C ATOM 1255 CG2 VAL A 477 12.177 -1.979 -2.535 1.00 0.31 C ATOM 0 H VAL A 477 13.739 -4.473 -2.570 1.00 0.25 H new ATOM 0 HA VAL A 477 13.413 -2.657 -4.839 1.00 0.29 H new ATOM 0 HB VAL A 477 14.191 -2.352 -1.912 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.932 0.055 -2.227 1.00 0.35 H new ATOM 0 HG12 VAL A 477 15.257 -0.613 -3.210 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.702 -0.202 -3.973 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.958 -1.300 -1.711 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.652 -1.645 -3.430 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.846 -2.984 -2.274 1.00 0.31 H new